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CHEBI:212522 - Neocosmosin A

ChEBI IDCHEBI:212522
ChEBI NameNeocosmosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O5
Net Charge0
Average Mass332.396
Monoisotopic Mass332.16237
SMILESCOc1cc(O)c2c(c1)CC(=O)CCCC/C=C/C[C@@H](C)OC2=O
InChIInChI=1S/C19H24O5/c1-13-8-6-4-3-5-7-9-15(20)10-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,11-13,21H,3,5,7-10H2,1-2H3/b6-4+/t13-/m1/s1
InChIKeyWPFPHTQEYJIBCM-DIECRNLCSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (23659286)
ChEBI Ontology
Outgoing Relation(s)
Neocosmosin A (CHEBI:212522) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,6E)-18-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
Manual XrefsDatabases
30811307ChemSpider